N,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide

C13H24F3N3O2 — CID 63828003

IUPACN,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O2/c1-18(2)12(20)9-19-6-3-11(4-7-19)17-5-8-21-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyDUBURICOAZVQII-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.71
Rot. Bonds7

About N,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide (PubChem CID 63828003) has the molecular formula C13H24F3N3O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide
PubChem CID63828003
Molecular FormulaC13H24F3N3O2
Molecular Weight311.35 g/mol
Exact Mass311.18
IUPAC NameN,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O2/c1-18(2)12(20)9-19-6-3-11(4-7-19)17-5-8-21-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyDUBURICOAZVQII-UHFFFAOYSA-N
XLogP0.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide (CID 63828003) is N,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide is CN(C)C(=O)CN1CCC(NCCOCC(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide?
The InChIKey is DUBURICOAZVQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O2/c1-18(2)12(20)9-19-6-3-11(4-7-19)17-5-8-21-10-13(14,15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide?
N,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide has a molecular weight of 311.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 63828003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).